6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

C13H16ClN5S — CID 138014193

IUPAC6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCN(C)c1ncc2c(n1)CCN(Cc1ncc(Cl)s1)C2
InChIInChI=1S/C13H16ClN5S/c1-18(2)13-16-5-9-7-19(4-3-10(9)17-13)8-12-15-6-11(14)20-12/h5-6H,3-4,7-8H2,1-2H3
InChIKeyZNFPLWIZYHRRFI-UHFFFAOYSA-N
MW309.83 g/mol
LogP2.21
Rot. Bonds3

About 6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine

6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (PubChem CID 138014193) has the molecular formula C13H16ClN5S and a molecular weight of 309.83 g/mol. Its IUPAC name is 6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
PubChem CID138014193
Molecular FormulaC13H16ClN5S
Molecular Weight309.83 g/mol
Exact Mass309.08
IUPAC Name6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
SMILESCN(C)c1ncc2c(n1)CCN(Cc1ncc(Cl)s1)C2
InChIInChI=1S/C13H16ClN5S/c1-18(2)13-16-5-9-7-19(4-3-10(9)17-13)8-12-15-6-11(14)20-12/h5-6H,3-4,7-8H2,1-2H3
InChIKeyZNFPLWIZYHRRFI-UHFFFAOYSA-N
XLogP2.21
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.83
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

US10196391, Example 119
CID 121455939
2-[4-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 53540107
5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-2-methyl-1,3-thiazole
CID 53572127
4-methyl-2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
CID 24909123
2-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
CID 24910023
4-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
CID 24911031
2,4-dichloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
CID 24911115
2-chloro-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
CID 24911472
2-(4-methylpiperazin-1-yl)-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
CID 24911514
5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
CID 24912165
5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazol-2-amine
CID 24912249
2,4-dimethyl-5-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-1,3-thiazole
CID 24913194

Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The IUPAC name of 6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine (CID 138014193) is 6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine.
What is the SMILES notation for 6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The canonical SMILES for 6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is CN(C)c1ncc2c(n1)CCN(Cc1ncc(Cl)s1)C2.
What is the InChIKey of 6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
The InChIKey is ZNFPLWIZYHRRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5S/c1-18(2)13-16-5-9-7-19(4-3-10(9)17-13)8-12-15-6-11(14)20-12/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine?
6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine has a molecular weight of 309.83 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-1,3-thiazol-2-yl)methyl]-N,N-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine is sourced from PubChem (CID 138014193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).